==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-DEC-07 3BQF . COMPND 2 MOLECULE: PEPTIDE METHIONINE SULFOXIDE REDUCTASE MSRA/MSRB; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR F.M.RANAIVOSON,B.KAUFFMANN,F.FAVIER . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 196 A M 0 0 175 0, 0.0 2,-1.0 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 141.9 4.8 30.2 -8.4 2 197 A N + 0 0 102 2,-0.0 61,-2.9 0, 0.0 62,-0.6 -0.825 360.0 175.5 -95.8 98.0 2.9 32.0 -11.1 3 198 A T E -A 62 0A 67 -2,-1.0 2,-0.3 59,-0.3 59,-0.2 -0.664 19.9-171.2-108.8 163.1 -0.7 31.6 -10.1 4 199 A R E -A 61 0A 95 57,-1.7 57,-2.5 -2,-0.2 2,-0.3 -0.939 14.2-138.8-142.2 159.8 -4.1 32.7 -11.4 5 200 A T E +A 60 0A 36 -2,-0.3 97,-0.3 55,-0.2 2,-0.3 -0.922 17.5 175.5-126.4 151.0 -7.6 32.4 -9.9 6 201 A I E -A 59 0A 0 53,-1.5 53,-2.8 -2,-0.3 2,-0.6 -0.979 24.3-132.2-150.2 143.5 -11.0 31.7 -11.5 7 202 A Y E -AB 58 100A 23 93,-2.2 93,-2.9 -2,-0.3 2,-0.5 -0.898 22.8-170.3-107.6 123.3 -14.4 31.2 -9.8 8 203 A L E -AB 57 99A 0 49,-2.4 49,-3.0 -2,-0.6 2,-0.5 -0.933 10.9-172.2-119.4 130.4 -16.5 28.2 -10.7 9 204 A A E + B 0 98A 0 89,-2.8 89,-2.7 -2,-0.5 47,-0.2 -0.973 26.2 141.1-117.8 118.9 -20.2 27.5 -9.8 10 205 A G E - B 0 97A 4 1,-0.6 2,-0.3 -2,-0.5 87,-0.2 -0.042 68.0 -69.2-151.1 43.3 -21.5 24.0 -10.7 11 206 A G S S+ 0 0 0 85,-0.6 -1,-0.6 44,-0.4 77,-0.1 -0.712 104.6 16.9 104.1-159.4 -23.7 22.7 -8.0 12 207 A S > - 0 0 6 -2,-0.3 4,-1.4 75,-0.2 3,-0.5 -0.246 66.0-144.2 -49.4 120.9 -22.8 21.6 -4.5 13 208 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.655 89.8 75.0 -67.7 -10.5 -19.3 23.0 -3.8 14 209 A W H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 132,-0.3 0.969 103.8 34.3 -63.3 -54.0 -18.4 19.9 -1.8 15 210 A G H > S+ 0 0 5 -3,-0.5 4,-2.6 1,-0.2 -2,-0.2 0.919 118.9 52.0 -67.2 -43.5 -17.9 17.7 -4.8 16 211 A L H X S+ 0 0 5 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.874 110.7 47.7 -62.3 -39.2 -16.6 20.5 -7.0 17 212 A E H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.963 112.8 47.6 -65.9 -51.6 -13.9 21.5 -4.4 18 213 A A H X S+ 0 0 13 -4,-2.0 4,-0.7 -5,-0.3 -2,-0.2 0.901 110.7 55.2 -54.8 -42.8 -12.8 17.9 -3.9 19 214 A Y H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.932 110.9 40.9 -56.5 -54.3 -12.7 17.5 -7.7 20 215 A F H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.779 106.2 65.7 -69.3 -26.1 -10.4 20.4 -8.4 21 216 A Q H 3< S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.697 98.7 53.4 -69.3 -18.2 -8.2 19.6 -5.4 22 217 A R T << S+ 0 0 101 -3,-1.0 2,-0.5 -4,-0.7 -1,-0.2 0.418 85.5 104.0 -96.9 3.3 -7.1 16.4 -7.0 23 218 A I S X S- 0 0 4 -3,-1.2 3,-2.3 -4,-0.2 2,-0.4 -0.742 77.5-122.1 -89.9 124.5 -5.9 18.0 -10.2 24 219 A D T 3 S+ 0 0 122 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.498 102.5 35.3 -63.7 118.4 -2.2 18.4 -10.6 25 220 A G T 3 S+ 0 0 7 -2,-0.4 37,-3.4 1,-0.4 2,-0.7 0.094 85.9 112.7 122.5 -21.8 -1.7 22.1 -11.1 26 221 A V E < -C 61 0A 20 -3,-2.3 -1,-0.4 35,-0.2 35,-0.3 -0.773 41.5-175.9 -86.7 118.5 -4.4 23.3 -8.8 27 222 A V E - 0 0 74 33,-2.1 2,-0.3 -2,-0.7 34,-0.2 0.782 64.5 -6.2 -83.7 -31.5 -2.8 25.0 -5.8 28 223 A D E -C 60 0A 78 32,-1.9 32,-2.3 -8,-0.1 2,-0.3 -0.994 48.6-160.4-162.2 160.8 -5.9 25.6 -3.9 29 224 A A E -C 59 0A 1 -2,-0.3 2,-0.5 30,-0.2 115,-0.3 -0.909 12.8-173.3-150.0 115.2 -9.7 25.5 -3.8 30 225 A V E -C 58 0A 25 28,-2.1 28,-3.4 -2,-0.3 2,-0.4 -0.942 18.0-137.5-116.6 131.5 -12.0 27.4 -1.5 31 226 A S E +C 57 0A 0 -2,-0.5 107,-2.6 26,-0.2 2,-0.3 -0.685 42.6 135.3 -86.6 134.9 -15.7 27.0 -1.2 32 227 A G E -CD 56 137A 0 24,-3.0 24,-2.9 -2,-0.4 2,-0.5 -0.868 53.3 -87.2-157.8-168.7 -17.7 30.2 -0.9 33 228 A Y E -CD 55 136A 0 103,-2.9 103,-1.9 -2,-0.3 2,-0.3 -0.976 43.9-169.8-120.5 122.7 -20.8 32.2 -2.0 34 229 A A E +CD 54 135A 0 20,-2.4 20,-2.3 -2,-0.5 101,-0.2 -0.835 50.9 5.8-121.4 155.1 -20.5 34.4 -5.1 35 230 A N S S+ 0 0 11 99,-2.5 -1,-0.2 -2,-0.3 2,-0.2 0.868 83.1 142.7 48.2 50.7 -22.4 37.1 -7.0 36 231 A G - 0 0 7 2,-0.2 16,-0.2 -3,-0.2 -1,-0.1 -0.442 60.3-118.1-106.3-176.7 -25.1 37.6 -4.5 37 232 A N S S+ 0 0 146 14,-3.2 2,-0.3 -2,-0.2 15,-0.1 0.445 88.7 64.2-102.4 -3.1 -27.0 40.6 -3.3 38 233 A T S S- 0 0 52 13,-0.4 2,-0.4 0, 0.0 -2,-0.2 -0.774 78.3-115.3-119.7 165.6 -26.0 40.5 0.4 39 234 A K S S- 0 0 168 -2,-0.3 97,-0.0 1,-0.2 -2,-0.0 -0.798 85.3 -5.4-103.9 142.2 -22.7 40.7 2.3 40 235 A N S S- 0 0 127 -2,-0.4 -1,-0.2 1,-0.1 2,-0.1 0.902 83.6-164.3 45.2 59.0 -21.0 38.0 4.3 41 236 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.366 10.8-137.3 -74.2 150.0 -23.9 35.4 3.9 42 237 A S > - 0 0 44 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.520 33.1-102.2 -95.1 170.1 -24.2 32.3 6.1 43 238 A Y H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 126.1 54.0 -59.5 -37.6 -25.2 28.9 4.6 44 239 A E H >>S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 5,-1.0 0.852 105.6 51.5 -65.6 -38.2 -28.6 29.6 5.9 45 240 A D H >>S+ 0 0 48 3,-0.2 4,-1.4 2,-0.2 6,-0.7 0.973 115.5 40.9 -62.6 -54.7 -28.9 33.0 4.2 46 241 A V H <5S+ 0 0 6 -4,-2.1 4,-0.3 1,-0.2 6,-0.3 0.910 120.1 44.0 -59.4 -47.2 -28.0 31.6 0.8 47 242 A S H <5S+ 0 0 19 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.823 135.2 8.3 -72.0 -33.3 -30.0 28.4 1.2 48 243 A Y H <5S+ 0 0 163 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.725 120.9 57.8-121.0 -32.0 -33.2 29.9 2.6 49 244 A R T <> -A 3 0A 14 -37,-3.4 4,-2.7 -2,-0.3 3,-1.3 -0.633 29.8-156.4 -74.2 108.3 -0.3 27.1 -11.5 63 258 A A T 34 S+ 0 0 35 -61,-2.9 -1,-0.2 -2,-0.8 -60,-0.2 0.657 92.4 54.1 -62.2 -14.9 -0.4 29.4 -14.5 64 259 A D T 34 S+ 0 0 110 -62,-0.6 -1,-0.3 -39,-0.1 3,-0.1 0.685 115.1 36.6 -91.9 -20.1 2.7 27.6 -15.8 65 260 A K T <4 S+ 0 0 99 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.816 124.2 27.8 -98.0 -40.3 1.2 24.1 -15.6 66 261 A L < - 0 0 18 -4,-2.7 -1,-0.2 -41,-0.2 2,-0.2 -0.922 66.5-142.6-127.0 150.0 -2.5 24.8 -16.6 67 262 A S > - 0 0 46 -2,-0.3 4,-1.9 -3,-0.1 5,-0.1 -0.592 35.0-108.1-101.0 167.5 -4.2 27.4 -18.7 68 263 A L H > S+ 0 0 4 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.880 122.6 58.7 -60.8 -35.4 -7.6 28.9 -17.9 69 264 A D H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 102.4 50.6 -61.1 -41.3 -8.8 26.7 -20.8 70 265 A D H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 109.3 51.2 -62.7 -47.1 -7.7 23.5 -19.2 71 266 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.929 110.1 50.1 -55.6 -45.5 -9.5 24.5 -16.0 72 267 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.889 108.1 52.4 -62.2 -39.2 -12.6 25.1 -18.0 73 268 A Q H X S+ 0 0 48 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.909 109.7 49.1 -63.6 -40.5 -12.4 21.7 -19.7 74 269 A Y H >X S+ 0 0 21 -4,-2.4 3,-0.8 1,-0.2 4,-0.8 0.937 110.8 51.6 -61.2 -45.8 -12.1 20.0 -16.4 75 270 A F H >X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.3 3,-0.9 0.897 105.1 54.3 -57.4 -45.1 -15.1 22.0 -15.2 76 271 A F H 3< S+ 0 0 7 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.729 99.3 65.6 -65.0 -20.6 -17.2 20.9 -18.2 77 272 A R H << S+ 0 0 42 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.819 114.7 25.6 -70.4 -33.0 -16.4 17.2 -17.4 78 273 A V H << S+ 0 0 15 -3,-0.9 2,-0.4 -4,-0.8 -2,-0.2 0.565 108.9 76.5-110.3 -9.7 -18.3 17.3 -14.1 79 274 A V S < S- 0 0 5 -4,-1.6 -68,-0.1 77,-0.0 8,-0.1 -0.864 71.9-135.0-106.7 136.2 -20.9 20.1 -14.6 80 275 A D > - 0 0 67 -2,-0.4 3,-0.9 -70,-0.2 6,-0.2 -0.781 19.9-167.3 -85.2 104.7 -24.1 19.7 -16.7 81 276 A P T 3 S+ 0 0 0 0, 0.0 45,-2.6 0, 0.0 46,-0.5 0.274 78.6 57.9 -77.9 12.4 -24.0 23.0 -18.6 82 277 A T T 3 S+ 0 0 29 43,-0.2 2,-0.4 44,-0.1 -2,-0.0 0.502 80.6 94.0-118.9 -7.9 -27.6 22.6 -19.9 83 278 A S X - 0 0 22 -3,-0.9 2,-0.6 3,-0.1 3,-0.5 -0.748 69.6-134.9 -91.3 131.3 -29.5 22.3 -16.6 84 279 A L T 3 S- 0 0 125 -2,-0.4 8,-0.1 1,-0.2 12,-0.1 -0.745 78.9 -23.2 -89.1 120.8 -31.0 25.5 -15.2 85 280 A N T 3 S+ 0 0 44 -2,-0.6 7,-2.2 8,-0.1 -1,-0.2 0.879 119.2 96.1 47.9 46.6 -30.5 26.0 -11.5 86 281 A K E < +F 91 0B 89 -3,-0.5 2,-0.4 9,-0.3 5,-0.2 -0.813 36.7 167.3-169.5 126.7 -30.1 22.2 -11.0 87 282 A Q E > S-F 90 0B 13 3,-1.8 3,-1.5 -2,-0.2 -75,-0.2 -0.949 78.4 -43.5-137.6 110.0 -27.3 19.6 -10.7 88 283 A G T 3 S- 0 0 45 -2,-0.4 -77,-0.0 1,-0.3 68,-0.0 -0.481 123.2 -23.5 66.8-131.2 -28.6 16.3 -9.4 89 284 A N T 3 S+ 0 0 127 -2,-0.2 2,-1.0 -3,-0.1 -1,-0.3 0.627 111.5 105.4 -88.5 -15.4 -31.0 16.9 -6.5 90 285 A D E < +F 87 0B 0 -3,-1.5 -3,-1.8 79,-0.1 2,-0.4 -0.559 52.4 175.7 -70.1 104.3 -29.5 20.3 -5.7 91 286 A T E +F 86 0B 89 -2,-1.0 -5,-0.2 -5,-0.2 2,-0.2 -0.929 26.5 67.2-117.5 137.0 -32.2 22.6 -7.0 92 287 A G S > S- 0 0 23 -7,-2.2 3,-2.4 -2,-0.4 4,-0.1 -0.520 89.6 -77.2 135.1 157.0 -32.3 26.4 -6.7 93 288 A T G > S+ 0 0 72 1,-0.3 3,-1.4 2,-0.2 -8,-0.1 0.695 119.5 71.9 -57.9 -19.4 -30.4 29.4 -8.0 94 289 A Q G 3 S+ 0 0 18 1,-0.3 -39,-3.0 -40,-0.2 -1,-0.3 0.614 99.5 47.9 -73.6 -8.6 -27.6 28.7 -5.4 95 290 A Y G < S+ 0 0 12 -3,-2.4 -9,-0.3 -41,-0.2 -1,-0.3 0.187 82.3 135.5-114.0 14.6 -26.6 25.8 -7.6 96 291 A R < - 0 0 30 -3,-1.4 -85,-0.6 -11,-0.2 2,-0.3 -0.234 58.1-113.8 -61.8 152.6 -26.6 27.6 -10.9 97 292 A S E +B 10 0A 3 -14,-0.3 31,-2.1 29,-0.2 2,-0.3 -0.716 51.8 138.9 -90.6 140.3 -23.7 26.9 -13.2 98 293 A G E -Be 9 128A 0 -89,-2.7 -89,-2.8 -2,-0.3 2,-0.4 -0.987 44.5-135.4-172.4 163.2 -21.3 29.8 -14.0 99 294 A V E -Be 8 129A 0 29,-2.0 31,-2.1 -2,-0.3 2,-0.5 -0.996 23.8-166.1-129.5 121.8 -17.8 31.0 -14.5 100 295 A Y E -Be 7 130A 0 -93,-2.9 -93,-2.2 -2,-0.4 2,-0.3 -0.952 5.7-163.7-117.1 130.3 -16.8 34.3 -12.8 101 296 A Y E - e 0 131A 23 29,-1.4 31,-2.7 -2,-0.5 -95,-0.1 -0.774 25.2-160.4-114.1 154.6 -13.7 36.2 -13.7 102 297 A T S S+ 0 0 91 -97,-0.3 -1,-0.1 -2,-0.3 -96,-0.1 0.553 85.1 63.0-104.0 -15.5 -11.7 39.0 -12.1 103 298 A D S > S- 0 0 77 1,-0.1 3,-2.2 0, 0.0 4,-0.4 -0.958 73.6-146.7-115.5 121.2 -10.0 40.0 -15.4 104 299 A P G > S+ 0 0 103 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.713 96.0 69.0 -56.9 -23.1 -12.2 41.3 -18.3 105 300 A A G 3 S+ 0 0 71 1,-0.2 4,-0.5 2,-0.2 3,-0.1 0.593 91.2 62.6 -73.4 -9.3 -9.8 39.7 -20.8 106 301 A E G <> S+ 0 0 8 -3,-2.2 4,-2.9 2,-0.2 5,-0.2 0.662 82.0 77.4 -89.0 -18.3 -11.0 36.3 -19.6 107 302 A K H <> S+ 0 0 114 -3,-0.9 4,-2.9 -4,-0.4 5,-0.2 0.924 96.4 47.3 -56.7 -45.7 -14.6 36.9 -20.7 108 303 A A H > S+ 0 0 71 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.839 111.5 51.8 -64.8 -34.0 -13.7 36.2 -24.3 109 304 A V H > S+ 0 0 45 -4,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.930 113.3 43.7 -67.2 -45.9 -11.8 33.1 -23.2 110 305 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.905 114.0 50.4 -66.5 -42.0 -14.8 31.8 -21.3 111 306 A A H X S+ 0 0 45 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.925 110.8 48.8 -63.6 -44.1 -17.2 32.6 -24.1 112 307 A A H X S+ 0 0 38 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.906 111.5 50.1 -62.8 -40.8 -15.1 30.9 -26.7 113 308 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.916 110.2 49.7 -63.1 -43.5 -14.8 27.8 -24.5 114 309 A L H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.882 109.0 53.3 -63.5 -36.6 -18.6 27.7 -23.9 115 310 A K H X S+ 0 0 138 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.899 110.1 46.7 -65.6 -41.2 -19.1 28.0 -27.7 116 311 A R H >< S+ 0 0 102 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.935 112.4 49.8 -66.4 -43.8 -16.8 25.0 -28.3 117 312 A E H >< S+ 0 0 10 -4,-2.7 3,-1.5 1,-0.3 4,-0.3 0.884 103.9 60.3 -60.5 -38.3 -18.6 23.0 -25.6 118 313 A Q H >< S+ 0 0 65 -4,-2.4 3,-1.5 1,-0.3 -1,-0.3 0.794 90.6 71.0 -59.7 -28.9 -21.9 24.0 -27.2 119 314 A Q T << S+ 0 0 158 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.792 101.7 43.6 -59.0 -29.7 -20.7 22.2 -30.4 120 315 A K T < S+ 0 0 142 -3,-1.5 2,-0.4 -4,-0.5 -1,-0.3 0.393 103.2 80.0 -98.9 3.9 -21.1 18.9 -28.6 121 316 A Y < - 0 0 72 -3,-1.5 4,-0.1 -4,-0.3 0, 0.0 -0.935 54.9-164.0-116.2 134.4 -24.5 19.6 -27.0 122 317 A Q S S+ 0 0 197 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.878 79.8 65.9 -78.4 -40.1 -27.9 19.4 -28.7 123 318 A L S S- 0 0 102 1,-0.1 2,-0.1 0, 0.0 -2,-0.1 -0.482 100.9 -94.4 -81.2 152.5 -29.5 21.5 -25.9 124 319 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.401 38.4-117.9 -67.4 139.7 -28.6 25.2 -25.3 125 320 A L - 0 0 32 -4,-0.1 -43,-0.2 1,-0.1 -7,-0.0 -0.560 24.8-172.5 -76.9 143.6 -25.9 25.9 -22.7 126 321 A V + 0 0 54 -45,-2.6 2,-0.3 -2,-0.2 -29,-0.2 0.076 34.3 136.0-124.7 22.2 -27.1 28.0 -19.8 127 322 A V - 0 0 17 -46,-0.5 -29,-0.3 -31,-0.1 2,-0.1 -0.568 53.4-125.5 -74.9 129.0 -23.8 28.6 -18.0 128 323 A E E -e 98 0A 54 -31,-2.1 -29,-2.0 -2,-0.3 2,-0.4 -0.455 18.0-164.5 -74.6 147.2 -23.3 32.1 -16.8 129 324 A N E +e 99 0A 28 -31,-0.2 -29,-0.2 -2,-0.1 -31,-0.0 -0.889 36.4 135.4-133.3 95.0 -20.1 34.0 -18.0 130 325 A E E -e 100 0A 63 -31,-2.1 -29,-1.4 -2,-0.4 -2,-0.0 -0.952 56.6 -90.0-144.5 162.7 -19.8 37.0 -15.7 131 326 A P E -e 101 0A 53 0, 0.0 2,-1.1 0, 0.0 -29,-0.2 -0.276 51.0-101.1 -68.1 156.4 -17.4 39.1 -13.6 132 327 A L + 0 0 33 -31,-2.7 3,-0.1 1,-0.2 -32,-0.0 -0.741 44.1 177.3 -82.1 106.1 -16.9 38.1 -10.0 133 328 A K - 0 0 140 -2,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.945 65.4 -11.4 -74.6 -50.5 -19.1 40.8 -8.4 134 329 A N - 0 0 32 -3,-0.2 -99,-2.5 2,-0.0 2,-0.4 -0.996 57.6-167.6-152.7 148.6 -18.6 39.4 -4.9 135 330 A F E -D 34 0A 36 -2,-0.3 2,-0.4 -101,-0.2 -101,-0.2 -0.996 4.8-175.9-140.3 134.4 -17.2 36.4 -3.1 136 331 A Y E -D 33 0A 57 -103,-1.9 -103,-2.9 -2,-0.4 -2,-0.0 -0.994 29.9-114.6-135.3 126.7 -17.5 35.3 0.5 137 332 A D E -D 32 0A 107 -2,-0.4 -105,-0.3 -105,-0.2 3,-0.1 -0.276 30.7-124.3 -59.4 136.4 -15.8 32.3 2.1 138 333 A A - 0 0 3 -107,-2.6 5,-0.1 1,-0.2 -107,-0.1 -0.366 46.0 -71.5 -76.3 162.5 -18.1 29.6 3.3 139 334 A E >> - 0 0 72 1,-0.1 3,-1.6 3,-0.1 4,-0.6 -0.135 46.8-111.2 -51.6 150.2 -18.0 28.5 7.0 140 335 A E G >4 S+ 0 0 150 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.785 115.5 70.3 -56.2 -29.7 -14.8 26.5 7.9 141 336 A Y G 34 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.849 97.7 50.8 -55.7 -36.4 -17.0 23.4 8.3 142 337 A H G X4 S+ 0 0 10 -3,-1.6 3,-1.2 -111,-0.1 -1,-0.3 0.665 86.9 102.1 -78.3 -18.7 -17.5 23.4 4.5 143 338 A Q T << S- 0 0 18 -3,-1.0 5,-0.1 -4,-0.6 -113,-0.1 -0.488 99.8 -3.8 -72.0 135.4 -13.8 23.6 3.6 144 339 A D T >> S+ 0 0 65 -115,-0.3 4,-1.7 -2,-0.2 3,-0.7 0.829 86.5 162.2 52.1 36.1 -12.2 20.3 2.5 145 340 A Y H <> + 0 0 24 -3,-1.2 4,-2.0 1,-0.3 3,-0.3 0.900 68.2 43.0 -51.3 -53.5 -15.5 18.7 3.3 146 341 A L H 34 S+ 0 0 20 -132,-0.3 -1,-0.3 1,-0.2 6,-0.2 0.682 110.4 57.2 -71.7 -17.4 -15.0 15.5 1.3 147 342 A I H <4 S+ 0 0 110 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.816 113.9 39.4 -78.7 -31.6 -11.5 15.1 2.6 148 343 A K H < S+ 0 0 95 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.1 0.750 129.6 30.9 -86.6 -28.4 -12.8 15.1 6.1 149 344 A N >< - 0 0 61 -4,-2.0 3,-2.4 -5,-0.2 -1,-0.3 -0.705 67.5-177.8-132.7 79.9 -15.9 13.0 5.3 150 345 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.739 86.6 49.5 -49.6 -28.9 -15.0 10.6 2.4 151 346 A N T 3 S+ 0 0 164 2,-0.0 3,-0.1 0, 0.0 -5,-0.1 0.054 87.3 130.0-101.3 25.7 -18.6 9.3 2.4 152 347 A G S < S- 0 0 17 -3,-2.4 2,-0.0 -6,-0.2 -6,-0.0 -0.329 74.4 -68.3 -76.1 161.7 -20.1 12.7 2.3 153 348 A Y + 0 0 66 -2,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.261 69.1 149.3 -53.8 122.9 -22.7 13.8 -0.2 154 349 A C + 0 0 50 -3,-0.1 4,-0.0 -140,-0.1 -1,-0.0 -0.900 24.0 176.1-159.1 124.0 -21.2 13.9 -3.7 155 350 A H + 0 0 77 -2,-0.3 2,-0.3 -143,-0.1 -67,-0.1 0.447 61.5 83.5-111.2 -1.9 -22.9 13.3 -7.1 156 351 A I S S- 0 0 28 2,-0.0 2,-1.1 -77,-0.0 -78,-0.1 -0.725 82.1-120.0 -98.2 152.5 -20.1 14.1 -9.4 157 352 A D > - 0 0 66 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.774 23.3-170.1 -95.6 97.9 -17.4 11.5 -10.3 158 353 A I G > S+ 0 0 53 -2,-1.1 3,-1.2 1,-0.3 -1,-0.1 0.539 75.7 80.4 -64.6 -6.4 -14.1 13.0 -9.1 159 354 A R G > S+ 0 0 168 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.650 74.5 77.1 -74.5 -13.4 -12.2 10.3 -10.8 160 355 A K G X S+ 0 0 86 -3,-1.9 3,-0.7 1,-0.3 -1,-0.2 0.689 79.8 70.7 -67.3 -18.5 -12.7 12.2 -14.1 161 356 A A G < S+ 0 0 6 -3,-1.2 -1,-0.3 1,-0.2 -137,-0.3 0.567 88.6 62.5 -74.6 -10.0 -9.9 14.6 -12.9 162 357 A D G < S+ 0 0 88 -3,-1.6 -1,-0.2 -139,-0.1 -2,-0.2 0.698 79.3 97.5 -88.3 -21.2 -7.3 11.8 -13.5 163 358 A E S < S- 0 0 109 -3,-0.7 -3,-0.0 -4,-0.4 0, 0.0 -0.557 80.1-119.8 -71.5 121.4 -8.0 11.6 -17.2 164 359 A P - 0 0 103 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.149 20.6-122.9 -62.3 155.3 -5.4 13.8 -19.1 165 360 A L - 0 0 31 1,-0.2 -95,-0.0 2,-0.0 -91,-0.0 -0.495 51.2 -57.5 -93.4 166.4 -6.3 16.7 -21.3 166 361 A P 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -96,-0.0 -0.072 360.0 360.0 -44.5 138.2 -5.3 17.1 -25.1 167 362 A G 0 0 129 -3,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.793 360.0 360.0 39.8 360.0 -1.6 16.9 -25.7 168 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 169 400 A X 0 0 158 0, 0.0 -79,-0.1 0, 0.0 -16,-0.0 0.000 360.0 360.0 360.0 360.0 -27.3 19.0 0.2